2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]acetic acid CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]acetic acid IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]acetic acid Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)O)CSCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)O)CSCC(=O)O

InChI

InChI=1S/C12H11NO3S/c14-10-4-3-8(6-17-7-11(15)16)9-2-1-5-13-12(9)10/h1-5,14H,6-7H2,(H,15,16)